Titantetrabutanolat
Titanium tetrabutoxide
Grundinformationen
- CAS
5593-70-4- Standard-SMILES
CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Ti+4]- InChIKey
YHWCPXVTRSHPNY-UHFFFAOYSA-N- Summenformel
- C16H36O4Ti
- Durchschnittliche Molmasse
- 340,32 g/mol
- Monoisotopische Masse
- 340,2093003
Überblick
Tetrabutyl titanate appears as a water-white to pale-yellow liquid with an alcohol-like odor. About the same density as water. Flash point 170 °F. Contact may irritate or cause burns.
Namen und Bezeichner
- Bevorzugter Name
- Titanium tetrabutoxide
- IUPAC
- tetrakis(butan-1-olate);titanium(4+)
- Lokaler Name
- Titantetrabutanolat
- Englischer Name
- Tetrabutyl titanate
- Summenformel
- C16H36O4Ti
- Molmasse
- 340.32
Namen und Synonyme
5593-70-4Titanium tetrabutoxideButyl titanateTETRABUTYL TITANATETitanium ButoxideTetrabutyltitanateTetrabutyl orthotitanateButyl titanate(IV)Titanium butylateTyzor BPButyl orthotitanateTyzor TBT
Weitere Namen anzeigen
TNBTTETRA-N-BUTYL TITANATEtetrabutoxytitaniumTITANIUM(IV) BUTOXIDETITANIUM(IV) N-BUTOXIDETitanium tetrabutanolate
Tetrabutoxy titaniumOrgatics TA 25B 1 (titanate)Titanium tetrabutylateButyl titanate monomerTitanium, tetrabutoxy-Titanium(4+) butoxideTitanium tetrakis(butoxide)
Datenbank-Bezeichner
- CAS
5593-70-4、9022-96-2- PubChem CID
- 21801
- DTXSID
DTXSID6041262- UNII
- FJS8Q2MX9I
- EC Number
- 227-006-8
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 92,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 13,1
Experimentelle und physikochemische Eigenschaften
Chemical ClassesMetals -> Metal Alkoxides
OdorWEAK, ALCOHOL-LIKE ODOR
Density
0.998 at 77 °F (USCG, 1999) - Less dense than water; will float
0.998 @ 25 °C (liquid)
0.998 @25 °C
Color/Form
COLORLESS TO LIGHT-YELLOW LIQUID
Pale yellow, viscous liquid
Solubility
Sol in most organic solvents except ketones
Sol in aliphatic aromatic, chlorinated, and oxygenated solvents
Flash Point
170 °F (USCG, 1999)
170 °F (CLOSED CUP)
Boiling Point
593 °F at 760 mmHg (USCG, 1999)
312 °C
292.4 °C @760 [mm Hg]
DecompositionWhen heated to decomposition it emits acrid & irritating fumes.
Melting Point
-67 °F (USCG, 1999)
-55 °C
-55 °C
Vapor Density11.7 (Air= 1)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Refractive IndexIndex of refraction: 1.486
Physikochemische Eigenschaften
- Schmelzpunkt
- -55 °C · -55°C
- Siedepunkt
- 206 °C/10 · 206 °C/10 mmHg (lit.)
- Dichte
- 1 g/mL · 1.00 g/mL at 20 °C (lit.)
- Dampfdruck
- 5.6 hPa · 5.6 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.491(lit.)
- Flammpunkt
- 55 °F · 55 °F
- storage temp.
- 2 °C · Store at +2°C to +8°C.
- Löslichkeit
- Miscible with aliphatic, aromatic, chlorinated and oxygenated solvents.
- Aggregatzustand
- Liquid
- Wichte
- 0.998 · 0.998
- Farbe
- Pale yellow
- Explosionsgrenze
- 2 · 2.0-12.0%(V)
- Wasserlöslichkeit
- RAPIDLY HYDROLIZED
- BRN
- 4148236 · 4148236
- Stabilität
- Stable, but moisture sensitive. Flammable. Incompatible with water, moisture, strong oxidizing agents, strong acids.
- Kosmetik-Inhaltsstoffe Funktionen
- FILM FORMING
- InChI
- 1S/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4
- InChIKey
- YHWCPXVTRSHPNY-UHFFFAOYSA-N
- SMILES
- CCCCO[Ti](OCCCC)(OCCCC)OCCCC
- LogP
- 0.84 at · 0.84 at 25℃
- CAS Datenbank
- 5593 · 5593-70-4(CAS DataBase Reference)
- NIST chemische Informationen
- Tetrabutoxytitanium(5593-70-4)
- EPA chemische Informationen
- Tetrabutyl titanate (5593-70-4)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 6.5% (102 of 1561) of reports.
Danger
H226 (84.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1561 reports by companies from 46 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: 1-Butanol, titanium(4+) salt
1-Butanol, titanium(4+) salt (4:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, titanium(4+) salt (4:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Titanium tetrabutanolate (EC: 227-006-8)
1-Butanol, titanium (IV) salt: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive Flammable Liquid
Fire HazardsCombustible. Containers may explode in fire. May give off dense white smoke. Containers may explode. (USCG, 1999)
Fire PotentialFLAMMABLE WHEN EXPOSED TO HEAT OR FLAME.
Health HazardsLIQUID: Irritating to skin and eyes. If swallowed will cause nausea and vomiting. (USCG, 1999)
Hazards Summary
Decomposed by water producing butanol and titanium dioxide; A skin, eye, and respiratory tract irritant; May cause corneal damage; [HSDB] Reacts with water forming butanol and titanium dioxide; A skin and eye irritant; [CAMEO] A skin irritant; Corrosive to eyes; [eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Reactive GroupBases, Strong
Reactivity Profile
Organometallics are strongly reactive with many other groups. Incompatible with acids and bases. Organometallics are good reducing agents and therefore incompatible with oxidizing agents. Often reactive with water to generate toxic or flammable gases. Generally highly toxic. Often react on contact with tissues to give toxic products.
Flammable Limits2%-12%
Air and Water ReactionsSoluble in water. Reacts with water to form butanol and titanium dioxide, the reaction is not generally thought to be hazardous.
Hazard Classes and Categories
Flam. Liq. 3 (84.2%)
Flammable liquids - Category 4
Lower Explosive Limit (LEL)2 % (USCG, 1999)
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
First AidINHALATION: move from contaminated atmosphere; if symptoms of respiratory discomfort persist, see a physician.
Firefighting HazardsMAY GIVE OFF DENSE WHITE SMOKE.
Fire Fighting ProceduresEXTINGUISH WITH DRY CHEM OR CARBON DIOXIDE. DO NOT USE WATER ON FIRE. COOL EXPOSED CONTAINERS WITH WATER.
Storage Conditions
IN GENERAL, MATERIALS ... TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS ... SHOULD BE STORED IN COOL ... VENTILATED PLACE, OUT OF ... SUN, AWAY FROM ... FIRE HAZARD ... BE PERIODICALLY INSPECTED & MONITORED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED ... .
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Protective Action Criteria (PAC)
9.4 [mg/m3]
100 [mg/m3]
620 [mg/m3]
Personal Protective Equipment (PPE)
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
SELF-CONTAINED BREATHING APPARATUS OR ORGANIC CANISTER MASK; GOGGLES OR FACE SHIELD; RUBBER GLOVES.
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts
INHALATION CAUSES NONSPECIFIC IRRITATION OF THE UPPER RESP TRACT. CONTACT WITH LIQUID MAY CAUSE CORNEAL DAMAGE IN EYES AND LOCAL IRRITATION OF SKIN. INGESTION CAUSES NONSPECIFIC IRRITATION OF GI TRACT, NAUSEA, VOMITING, CRAMPS, AND DIARRHEA; IN SEVERE CASES, CENTRAL NERVOUS SYSTEM DEPRESSION MAY RESULT.
Non-Human Toxicity Values
LD50 Rat oral 3122 mg/kg
LD50 Mouse iv 180 mg/kg
Sicherheitsdaten
- F
- 21
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29051900
- RTECS-Nr.
- XR1585000
- risk_code
- 10-36/37/38-67-41-37/38-45
- Toxizität
- LD50 orally in Rabbit: 3122 mg/kg
- hazard_code
- Xi,T
- safety_code
- 16-26-39-24/25-53
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Giftige Stoffe Daten
- 5593-70-4(Hazardous Substances Data)
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
BionecessityThere is no evidence that titanium is an essential element for either man or animals. /Titanium/
Verwendung und Herstellung
Uses
Used in ester exchange reactions, heat-resistant paints, medical/dental bonding compositions, and anhydrous hair set compositions; Also used as an adhesion promoter (paints, rubber, and plastics-metal), curing agent (alkyl, epoxy, and silicon resins), catalyst, and glass coating; [HSDB]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
Ester exchange reactions; heat-resistant paints (up to 500 °C); improving adhesion of paints, rubber, and plastics to metal surfaces; cross linking agent; condensation catalyst
Esterification/alcoholysis catalysts; alkyl/epoxy/silicon resin crosslinking agent; Ziegler catalyst component; high temperature coatings ingredient; glass surface treatment agent
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesCatalyst
Industry UsesCatalyst
Methods of ManufacturingReaction of titanium tetrachloride with butanol.
Formulations/PreparationsGrades of Purity: Technical
Household ProductsInformation on 6 consumer products that contain Titanium tetrabutanolate in the following categories is provided:
General Manufacturing Information
Petrochemical Manufacturing
1-Butanol, titanium(4+) salt (4:1): ACTIVE
IN DENTAL OR MEDICAL BONDING COMPOSITIONS
IN ANHYDROUS HAIR SET COMPOSITION
Anwendungen
VerwendenEster exchange reactions; heat-resistant paints (up to 500C); improving adhesion of paints, rubber, and plastics to metal surfaces; cross-linking agent; condensation catalyst.
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